HRID120730

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8454

N-Methylpyrrolidine

C5H11N

HCID10086969

N-methylazetidin-3-amine

C4H10N2

结构：Cc1cc(F)c(N)nc1-n1cc(C(=O)O)c(=O)c2cc(F)c(F)c(Cl)c21

HCID22121236

未命名化合物

PRODUCTS

生成物

结构：CNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4nc(N)c(F)cc4C)c3c2Cl)C1

HCID22121210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-642d58bf27704519a0249e9b8bfe6365
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:34][NH:35][CH:36]1[CH2:37][NH:38][CH2:39]1.[CH3:40][N:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[CH3:46][CH2:47][OH:48].[ClH:32].[ClH:33].[NH2:6][c:7]1[c:8]([F:31])[cH:9][c:10]([CH3:30])[c:11](-[n:13]2[cH:14][c:15]([C:27](=[O:28])[OH:29])[c:16](=[O:26])[c:17]3[cH:18][c:19]([F:25])[c:20]([F:24])[c:21]([Cl:23])[c:22]23)[n:12]1>>[NH2:6][c:7]1[c:8]([F:31])[cH:9][c:10]([CH3:30])[c:11](-[n:13]2[cH:14][c:15]([C:27](=[O:28])[OH:29])[c:16](=[O:26])[c:17]3[cH:18][c:19]([F:25])[c:20]([N:38]4[CH2:37][CH:36]([NH:35][CH3:34])[CH2:39]4)[c:21]([Cl:23])[c:22]23)[n:12]1